SCHEMBL27616587

SCHEMBL27616587

Oc1ccccc1CNc1ccc(F)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.69
KMT2A Q03164 4/20 0.62
RAB9A P51151 3/20 0.62
MEN1 O00255 3/20 0.62
HTT P42858 2/20 0.62
CA12 O43570 2/20 0.61
CA2 P00918 2/20 0.61
CA9 Q16790 2/20 0.61
HIF1A Q16665 2/20 0.61
CA1 P00915 1/20 0.61
APP P05067 1/20 0.56
MAOB P27338 1/20 0.55
HPGD P15428 2/20 0.54
NOX4 Q9NPH5 2/20 0.54
CYP2D6 P10635 1/20 0.53
TSHR P16473 1/20 0.53
MPO P05164 1/20 0.53
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
LMNA P02545 2/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11593766 0.90 MAPT (0.81) MAPTKMT2ARAB9AMEN1HTT
SCHEMBL10781073 0.85 MAPT (0.73) MAPTKMT2ARAB9AMEN1HTT
SCHEMBL30208389 0.84 HIF1A (0.74) MAPTKMT2ARAB9AMEN1HTT
SCHEMBL802584 0.84 HIF1A (0.74) MAPTKMT2ARAB9AMEN1HTT
Hydrochloric Acid SCHEMBL11833104 0.82 HIF1A (0.72) MAPTKMT2ARAB9AMEN1HTT
Bromide SCHEMBL27616592 0.82 HIF1A (0.72) MAPTKMT2ARAB9AMEN1HTT
SCHEMBL28911913 0.82 HIF1A (0.72) MAPTKMT2ARAB9AMEN1HTT
SCHEMBL11594145 0.81 MAPT (0.69) MAPTKMT2ARAB9AMEN1HTT
SCHEMBL30301294 0.81 MAPT (1.00) MAPTKMT2ARAB9AMEN1HTT
SCHEMBL802037 0.81 MAPT (1.00) MAPTKMT2ARAB9AMEN1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100341833-C Process for preparing aldehyde compounds INVISTA TECHNOLOGY CO LTD (US) 2007-10-10 CN disclosed
CN-1688531-A Process for preparing aldehyde compounds INVISTA TECHNOLOGY CO LTD (US) 2005-10-26 CN disclosed
CN-1635833-A Biocide compositions and methods and systems employing same PROCTER & GAMBLE (US) 2005-07-06 CN disclosed